Crystallography Open Database

Information card for entry 1508217

Preview

Coordinates	1508217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H66 Cl F6 Ir2 P7
Calculated formula	C30 H64 Cl F6 Ir2 P7
SMILES	[Ir](c1ccccc1)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[Cl][Ir](c1ccccc1)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Dinuclear iridium complexes with unsupported Ir-Cl-Ir bridges
Authors of publication	Merola, Joseph S; Husebo, Trang Le; Selnau, Henry E
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	390
Pages of publication	33 - 36
a	10.323 ± 0.002 Å
b	19.337 ± 0.004 Å
c	12.204 ± 0.002 Å
α	90°
β	110.09 ± 0.03°
γ	90°
Cell volume	2287.9 ± 0.9 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508217.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508217.cif
62763	2012-07-09	cif/ Adding structures of 1508217 via cif-deposit CGI script.	1508217.cif